SCHEMBL564922

SCHEMBL564922

CCCCCC=CCCC=CC=CC(=O)NCC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.91
CNR1 P21554 6/20 0.91
PPARG P37231 2/20 0.68
PPARD Q03181 2/20 0.68
PPARA Q07869 2/20 0.68
FAAH O00519 4/20 0.64
SOAT1 P35610 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL564921 1.00 CNR2 (0.91) CNR2CNR1PPARGPPARDPPARA
SCHEMBL564920 1.00 CNR2 (0.91) CNR2CNR1PPARGPPARDPPARA
SCHEMBL22498742 0.99 CNR2 (0.94) CNR2CNR1PPARGPPARDPPARA
SCHEMBL22498743 0.99 CNR2 (0.94) CNR2CNR1PPARGPPARDPPARA
SCHEMBL27101572 0.98 CNR2 (0.94) CNR2CNR1PPARGPPARDPPARA
SCHEMBL22397862 0.97 CNR2 (0.97) CNR2CNR1PPARGPPARDPPARA
SCHEMBL20959755 0.97 CNR2 (0.97) CNR2CNR1PPARGPPARDPPARA
SCHEMBL31231143 0.97 CNR2 (0.97) CNR2CNR1PPARGPPARDPPARA
SCHEMBL31231145 0.97 CNR2 (0.97) CNR2CNR1PPARGPPARDPPARA
SCHEMBL28274714 0.97 CNR2 (0.97) CNR2CNR1PPARGPPARDPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035855-A1 METHOD OF NETWORK-BASED IDENTIFICATION FOR DRUG ACTION AND/OR SYNERGY EFFECT OF MEDICINE COMBINATION TSINGHUA UNIVERSITY 2012-02-09 US disclosed
EP-2369493-A1 GENE NETWORK-BASED METHOD FOR CONFIRMING DRUG ACTION Tsinghua University (CN) 2011-09-28 EP disclosed